N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide

C26H27N3O3 — CID 45195114

IUPACN-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCc1oc(-c2ccc(NC(=O)Cc3ccccc3)cc2)nc1CNC(=O)C1CC=CCC1
InChIInChI=1S/C26H27N3O3/c1-18-23(17-27-25(31)20-10-6-3-7-11-20)29-26(32-18)21-12-14-22(15-13-21)28-24(30)16-19-8-4-2-5-9-19/h2-6,8-9,12-15,20H,7,10-11,16-17H2,1H3,(H,27,31)(H,28,30)
InChIKeyNMKKCGFZSKHMOV-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.80
Rot. Bonds7

About N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide

N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 45195114) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID45195114
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCc1oc(-c2ccc(NC(=O)Cc3ccccc3)cc2)nc1CNC(=O)C1CC=CCC1
InChIInChI=1S/C26H27N3O3/c1-18-23(17-27-25(31)20-10-6-3-7-11-20)29-26(32-18)21-12-14-22(15-13-21)28-24(30)16-19-8-4-2-5-9-19/h2-6,8-9,12-15,20H,7,10-11,16-17H2,1H3,(H,27,31)(H,28,30)
InChIKeyNMKKCGFZSKHMOV-UHFFFAOYSA-N
XLogP4.80
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-methyl-2-[3-(3-pyridin-3-ylpropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 45176298
N-[4-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide
CID 42245990
N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]oxirane-2-carboxamide
CID 154880217
N-(4-cyclopentylsulfonylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55611201
N-[3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30778625
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 18282283
N-ethyl-2-[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]-N-phenylacetamide
CID 52663048
1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 20955490
4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 16620994
N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 42916560
N-(4-methylphenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110649606
(1S)-N'-(2-phenylacetyl)cyclohex-3-ene-1-carbohydrazide
CID 766579

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide (CID 45195114) is N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide is Cc1oc(-c2ccc(NC(=O)Cc3ccccc3)cc2)nc1CNC(=O)C1CC=CCC1.
What is the InChIKey of N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is NMKKCGFZSKHMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-18-23(17-27-25(31)20-10-6-3-7-11-20)29-26(32-18)21-12-14-22(15-13-21)28-24(30)16-19-8-4-2-5-9-19/h2-6,8-9,12-15,20H,7,10-11,16-17H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 45195114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).